SCHEMBL19554160

SCHEMBL19554160

O=C(Nc1ccc(Cl)cc1-n1nn[nH]c1=O)c1ccc2cc(C3CC3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.42
CNR2 P34972 2/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
CCR1 P32246 2/20 0.37
GAA P10253 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.35
HDAC1 Q13547 1/20 0.35
PRSS12 P56730 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19554279 0.89 JAK2 (0.42) GAAJAK2JAK1NPC1RAB9A
SCHEMBL19554191 0.86 GAA (0.47) GAANPC1RAB9A
SCHEMBL19554220 0.85 KDM4E (0.42) GAANPC1
SCHEMBL19554871 0.84 F10 (0.48) JAK2JAK1NPC1RAB9A
SCHEMBL19554313 0.84 KCNMA1 (0.42) JAK2JAK1NPC1RAB9AHDAC1
SCHEMBL19554306 0.82 MEN1 (0.42) JAK2JAK1NPC1RAB9A
SCHEMBL19554711 0.80 MAPT (0.42) RAB9A
SCHEMBL19554319 0.80 SMN1; SMN2 (0.44) SERPINE1GAAJAK2JAK1NPC1
SCHEMBL19554849 0.77 GAA (0.40) GAAJAK2JAK1NPC1RAB9A
SCHEMBL19554374 0.77 KDM4E (0.49) NPC1RAB9AHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed